1-cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol

C12H22F3NO — CID 104752597

IUPAC1-cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)N(CC(O)C1CCCC1)CC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-9(2)16(8-12(13,14)15)7-11(17)10-5-3-4-6-10/h9-11,17H,3-8H2,1-2H3
InChIKeyLYVKEPWRRKSUPB-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.81
Rot. Bonds5

About 1-cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol

1-cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 104752597) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID104752597
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)N(CC(O)C1CCCC1)CC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-9(2)16(8-12(13,14)15)7-11(17)10-5-3-4-6-10/h9-11,17H,3-8H2,1-2H3
InChIKeyLYVKEPWRRKSUPB-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(Fluoromethyl)-2-hydroxyheptyl]-trimethylazanium
CID 87169846
1-(3,3-Difluorocyclopentyl)-2-(dimethylamino)ethanol
CID 134603272
[(2R)-1-(2,2-difluoroethyl)-3,5-dimethylpyrrolidin-2-yl]methanol
CID 154990714
Propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol
CID 163397426
1-[1,4-Di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol
CID 163397622
1-(1,2-Dimethylpyrrolidin-2-yl)-3,3,3-trifluoropropan-1-ol
CID 172308746
[(5S)-1-(2,2-difluoroethyl)-3,5-dimethylpyrrolidin-2-yl]methanol
CID 173872327
4-Methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61763986
4-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61764164
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methylcyclohexan-1-ol
CID 61764186
4-Propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61764772
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexan-1-ol
CID 61764957

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 1-cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol (CID 104752597) is 1-cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 1-cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 1-cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol is CC(C)N(CC(O)C1CCCC1)CC(F)(F)F.
What is the InChIKey of 1-cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is LYVKEPWRRKSUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(2)16(8-12(13,14)15)7-11(17)10-5-3-4-6-10/h9-11,17H,3-8H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol?
1-cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 253.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 104752597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).